| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:54 UTC |
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| Update Date | 2025-03-21 18:07:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066692 |
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| Frequency | 45.7 |
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| Structure | |
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| Chemical Formula | C19H26N3O3+ |
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| Molecular Mass | 344.1969 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)O |
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| InChI Key | JJXLLMLRMZIDOF-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsproline and derivativespyrrolespyrrolidine carboxylic acidstertiary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindolen-acylpyrrolidinealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativestetraalkylammonium saltazacyclen-acyl-alpha-amino acidquaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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